2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-bromanyl-4-chloranyl-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-bromanyl-4-chloranyl-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-bromo-4-chloro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-bromo-4-chlorophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-bromo-4-chlorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-bromo-4-chloro-phenyl)acetamide Formula: C13H9BrClN5OS MolecularWeight: 398.66546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)Br)Cl

InChI

InChI=1S/C13H9BrClN5OS/c14-9-3-8(1-2-10(9)15)19-11(21)6-22-13-18-5-7(4-16)12(17)20-13/h1-3,5H,6H2,(H,19,21)(H2,17,18,20)